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Murcko scaffold

Ring system with 3 rings and 23 atoms

10 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
23
Chemicals
10
With full pages
3
Scaffold SMILES

O=C(Nc1cn[nH]c1C(=O)NC1CCNCC1)c1ccccc1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold
Murcko scaffold O=C(Nc1cn[nH]c1C(=O)NC1CCNCC1)c1ccccc1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 10 of 10 chemicals

4-(2,6-Dichlorobenzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide chemical structure, C16H17Cl2N5O2, CAS 844442-38-2
4-(2,6-Dichlorobenzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide
CAS 844442-38-2C16H17Cl2N5O2
4-[[[4-(2,6-Dichlorobenzoylamino)-1H-pyrazol-3-yl]carbonyl]amino]piperidine-1-carboxylic acid tert-butyl ester chemical structure, C21H25Cl2N5O4, CAS 844443-90-9
4-[[[4-(2,6-Dichlorobenzoylamino)-1H-pyrazol-3-yl]carbonyl]amino]piperidine-1-carboxylic acid tert-butyl ester
CAS 844443-90-9C21H25Cl2N5O4
Nvp-lcq195 chemical structure, C17H19Cl2N5O4S, CAS 902156-99-4
Nvp-lcq195
CAS 902156-99-4C17H19Cl2N5O4S
1H-Pyrazole-3-carboxamide, 4-[(2,6-dichlorobenzoyl)amino]-N-4-piperidinyl-, acetate (1:1) chemical structure, C18H21Cl2N5O4, CAS 902135-90-4
1H-Pyrazole-3-carboxamide, 4-[(2,6-dichlorobenzoyl)amino]-N-4-piperidinyl-, acetate (1:1)
CAS 902135-90-4C18H21Cl2N5O4
AT-7519 Mesylate chemical structure, C17H21Cl2N5O5S, CAS 902135-89-1
AT-7519 Mesylate
CAS 902135-89-1C17H21Cl2N5O5S
4-(2,6-Dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide hydrochloride chemical structure, C16H18Cl3N5O2, CAS 902135-91-5
4-(2,6-Dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide hydrochloride
CAS 902135-91-5C16H18Cl3N5O2
Cdkl5/gsk3-IN-1 chemical structure, C16H17F2N5O2, CAS 844442-32-6
Cdkl5/gsk3-IN-1
CAS 844442-32-6C16H17F2N5O2
AT7519 trifluoroacetate chemical structure, C18H18Cl2F3N5O4, CAS 1431697-85-6
AT7519 trifluoroacetate
CAS 1431697-85-6C18H18Cl2F3N5O4
4-(3,5-Dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide chemical structure, C16H17Cl2N5O2, CAS 1109289-42-0
4-(3,5-Dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide
CAS 1109289-42-0C16H17Cl2N5O2
CDK9 ligand 3 chemical structure, C18H18BrCl2N5O3, CAS 3039540-24-1
CDK9 ligand 3
CAS 3039540-24-1C18H18BrCl2N5O3